acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane

C234H302F3N13O33S — CID 160593663

IUPACacetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane
SMILESCC#N.CCC(=C(c1ccc(O)cc1)c1ccc(N2CCC(CCN3CCN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(O)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(N2CCC(CC(OC)OC)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(N2CCC(CC=O)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1.COC(CC1CCNCC1)OC.COC(CC1CCNCC1)OC.COC(OC)OC.O=C(OCc1ccccc1)N1CCC(CCO)CC1.O=CCC1CCN(C(=O)OCc2ccccc2)CC1.OCCC1CCNCC1.[2H]CC
InChIInChI=1S/C46H51N5O4.C36H45NO4.C34H39NO3.C28H27F3O5S.C27H28O3.C15H21NO3.C15H19NO3.2C9H19NO2.C7H15NO.C4H10O3.C2H3N.C2H6/c1-2-40(33-6-4-3-5-7-33)44(35-10-15-39(52)16-11-35)34-8-12-37(13-9-34)49-24-21-32(22-25-49)20-23-48-26-28-50(29-27-48)38-14-17-41-36(30-38)31-51(46(41)55)42-18-19-43(53)47-45(42)54;1-4-33(28-10-6-5-7-11-28)36(30-15-19-32(20-16-30)41-34-12-8-9-25-40-34)29-13-17-31(18-14-29)37-23-21-27(22-24-37)26-35(38-2)39-3;1-2-32(27-8-4-3-5-9-27)34(29-13-17-31(18-14-29)38-33-10-6-7-25-37-33)28-11-15-30(16-12-28)35-22-19-26(20-23-35)21-24-36;1-2-25(20-8-4-3-5-9-20)27(21-11-15-23(16-12-21)35-26-10-6-7-19-34-26)22-13-17-24(18-14-22)36-37(32,33)28(29,30)31;1-2-25(20-8-4-3-5-9-20)27(21-11-15-23(28)16-12-21)22-13-17-24(18-14-22)30-26-10-6-7-19-29-26;2*17-11-8-13-6-9-16(10-7-13)15(18)19-12-14-4-2-1-3-5-14;2*1-11-9(12-2)7-8-3-5-10-6-4-8;9-6-3-7-1-4-8-5-2-7;1-5-4(6-2)7-3;1-2-3;1-2/h3-17,30,32,42,52H,2,18-29,31H2,1H3,(H,47,53,54);5-7,10-11,13-20,27,34-35H,4,8-9,12,21-26H2,1-3H3;3-5,8-9,11-18,24,26,33H,2,6-7,10,19-23,25H2,1H3;3-5,8-9,11-18,26H,2,6-7,10,19H2,1H3;3-5,8-9,11-18,26,28H,2,6-7,10,19H2,1H3;1-5,13,17H,6-12H2;1-5,11,13H,6-10,12H2;2*8-10H,3-7H2,1-2H3;7-9H,1-6H2;4H,1-3H3;1H3;1-2H3/i;;;;;;;;;;;;1D
InChIKeyRDIRLNGRCDLQOA-YTIVGADBSA-N
MW3915.12 g/mol
LogP45.93
Rot. Bonds65

About acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane

acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane (PubChem CID 160593663) has the molecular formula C234H302F3N13O33S and a molecular weight of 3915.12 g/mol. Its IUPAC name is acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane.

Molecular Properties

Compound Nameacetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane
PubChem CID160593663
Molecular FormulaC234H302F3N13O33S
Molecular Weight3915.12 g/mol
Exact Mass3912.21
IUPAC Nameacetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane
SMILESCC#N.CCC(=C(c1ccc(O)cc1)c1ccc(N2CCC(CCN3CCN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(O)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(N2CCC(CC(OC)OC)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(N2CCC(CC=O)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1.COC(CC1CCNCC1)OC.COC(CC1CCNCC1)OC.COC(OC)OC.O=C(OCc1ccccc1)N1CCC(CCO)CC1.O=CCC1CCN(C(=O)OCc2ccccc2)CC1.OCCC1CCNCC1.[2H]CC
InChIInChI=1S/C46H51N5O4.C36H45NO4.C34H39NO3.C28H27F3O5S.C27H28O3.C15H21NO3.C15H19NO3.2C9H19NO2.C7H15NO.C4H10O3.C2H3N.C2H6/c1-2-40(33-6-4-3-5-7-33)44(35-10-15-39(52)16-11-35)34-8-12-37(13-9-34)49-24-21-32(22-25-49)20-23-48-26-28-50(29-27-48)38-14-17-41-36(30-38)31-51(46(41)55)42-18-19-43(53)47-45(42)54;1-4-33(28-10-6-5-7-11-28)36(30-15-19-32(20-16-30)41-34-12-8-9-25-40-34)29-13-17-31(18-14-29)37-23-21-27(22-24-37)26-35(38-2)39-3;1-2-32(27-8-4-3-5-9-27)34(29-13-17-31(18-14-29)38-33-10-6-7-25-37-33)28-11-15-30(16-12-28)35-22-19-26(20-23-35)21-24-36;1-2-25(20-8-4-3-5-9-20)27(21-11-15-23(16-12-21)35-26-10-6-7-19-34-26)22-13-17-24(18-14-22)36-37(32,33)28(29,30)31;1-2-25(20-8-4-3-5-9-20)27(21-11-15-23(28)16-12-21)22-13-17-24(18-14-22)30-26-10-6-7-19-29-26;2*17-11-8-13-6-9-16(10-7-13)15(18)19-12-14-4-2-1-3-5-14;2*1-11-9(12-2)7-8-3-5-10-6-4-8;9-6-3-7-1-4-8-5-2-7;1-5-4(6-2)7-3;1-2-3;1-2/h3-17,30,32,42,52H,2,18-29,31H2,1H3,(H,47,53,54);5-7,10-11,13-20,27,34-35H,4,8-9,12,21-26H2,1-3H3;3-5,8-9,11-18,24,26,33H,2,6-7,10,19-23,25H2,1H3;3-5,8-9,11-18,26H,2,6-7,10,19H2,1H3;3-5,8-9,11-18,26,28H,2,6-7,10,19H2,1H3;1-5,13,17H,6-12H2;1-5,11,13H,6-10,12H2;2*8-10H,3-7H2,1-2H3;7-9H,1-6H2;4H,1-3H3;1H3;1-2H3/i;;;;;;;;;;;;1D
InChIKeyRDIRLNGRCDLQOA-YTIVGADBSA-N
XLogP45.93
TPSA516.98 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds65
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003915.12
LogP ≤ 545.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane?
The IUPAC name of acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane (CID 160593663) is acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane.
What is the SMILES notation for acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane?
The canonical SMILES for acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane is CC#N.CCC(=C(c1ccc(O)cc1)c1ccc(N2CCC(CCN3CCN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(O)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(N2CCC(CC(OC)OC)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(N2CCC(CC=O)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1.COC(CC1CCNCC1)OC.COC(CC1CCNCC1)OC.COC(OC)OC.O=C(OCc1ccccc1)N1CCC(CCO)CC1.O=CCC1CCN(C(=O)OCc2ccccc2)CC1.OCCC1CCNCC1.[2H]CC.
What is the InChIKey of acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane?
The InChIKey is RDIRLNGRCDLQOA-YTIVGADBSA-N. The full InChI is InChI=1S/C46H51N5O4.C36H45NO4.C34H39NO3.C28H27F3O5S.C27H28O3.C15H21NO3.C15H19NO3.2C9H19NO2.C7H15NO.C4H10O3.C2H3N.C2H6/c1-2-40(33-6-4-3-5-7-33)44(35-10-15-39(52)16-11-35)34-8-12-37(13-9-34)49-24-21-32(22-25-49)20-23-48-26-28-50(29-27-48)38-14-17-41-36(30-38)31-51(46(41)55)42-18-19-43(53)47-45(42)54;1-4-33(28-10-6-5-7-11-28)36(30-15-19-32(20-16-30)41-34-12-8-9-25-40-34)29-13-17-31(18-14-29)37-23-21-27(22-24-37)26-35(38-2)39-3;1-2-32(27-8-4-3-5-9-27)34(29-13-17-31(18-14-29)38-33-10-6-7-25-37-33)28-11-15-30(16-12-28)35-22-19-26(20-23-35)21-24-36;1-2-25(20-8-4-3-5-9-20)27(21-11-15-23(16-12-21)35-26-10-6-7-19-34-26)22-13-17-24(18-14-22)36-37(32,33)28(29,30)31;1-2-25(20-8-4-3-5-9-20)27(21-11-15-23(28)16-12-21)22-13-17-24(18-14-22)30-26-10-6-7-19-29-26;2*17-11-8-13-6-9-16(10-7-13)15(18)19-12-14-4-2-1-3-5-14;2*1-11-9(12-2)7-8-3-5-10-6-4-8;9-6-3-7-1-4-8-5-2-7;1-5-4(6-2)7-3;1-2-3;1-2/h3-17,30,32,42,52H,2,18-29,31H2,1H3,(H,47,53,54);5-7,10-11,13-20,27,34-35H,4,8-9,12,21-26H2,1-3H3;3-5,8-9,11-18,24,26,33H,2,6-7,10,19-23,25H2,1H3;3-5,8-9,11-18,26H,2,6-7,10,19H2,1H3;3-5,8-9,11-18,26,28H,2,6-7,10,19H2,1H3;1-5,13,17H,6-12H2;1-5,11,13H,6-10,12H2;2*8-10H,3-7H2,1-2H3;7-9H,1-6H2;4H,1-3H3;1H3;1-2H3/i;;;;;;;;;;;;1D.
What are the key properties of acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane?
acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane has a molecular weight of 3915.12 g/mol, XLogP of 45.93, 65 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;benzyl 4-(2-oxoethyl)piperidine-1-carboxylate;deuterioethane;4-(2,2-dimethoxyethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;bis(4-(2,2-dimethoxyethyl)piperidine);3-[6-[4-[2-[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-[1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]acetaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;2-piperidin-4-ylethanol;trimethoxymethane is sourced from PubChem (CID 160593663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).